2-hydroxy-N'-(3,3,3-trifluoropropyl)propanediamide

C6H9F3N2O3 — CID 140886991

IUPAC2-hydroxy-N'-(3,3,3-trifluoropropyl)propanediamide
SMILESNC(=O)C(O)C(=O)NCCC(F)(F)F
InChIInChI=1S/C6H9F3N2O3/c7-6(8,9)1-2-11-5(14)3(12)4(10)13/h3,12H,1-2H2,(H2,10,13)(H,11,14)
InChIKeyIQCARIXWBQNGSB-UHFFFAOYSA-N
MW214.14 g/mol
LogP-1.10
Rot. Bonds4

About 2-hydroxy-N'-(3,3,3-trifluoropropyl)propanediamide

2-hydroxy-N'-(3,3,3-trifluoropropyl)propanediamide (PubChem CID 140886991) has the molecular formula C6H9F3N2O3 and a molecular weight of 214.14 g/mol. Its IUPAC name is 2-hydroxy-N'-(3,3,3-trifluoropropyl)propanediamide.

Molecular Properties

Compound Name2-hydroxy-N'-(3,3,3-trifluoropropyl)propanediamide
PubChem CID140886991
Molecular FormulaC6H9F3N2O3
Molecular Weight214.14 g/mol
Exact Mass214.06
IUPAC Name2-hydroxy-N'-(3,3,3-trifluoropropyl)propanediamide
SMILESNC(=O)C(O)C(=O)NCCC(F)(F)F
InChIInChI=1S/C6H9F3N2O3/c7-6(8,9)1-2-11-5(14)3(12)4(10)13/h3,12H,1-2H2,(H2,10,13)(H,11,14)
InChIKeyIQCARIXWBQNGSB-UHFFFAOYSA-N
XLogP-1.10
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N'-(3,3,3-trifluoropropyl)propanediamide?
The IUPAC name of 2-hydroxy-N'-(3,3,3-trifluoropropyl)propanediamide (CID 140886991) is 2-hydroxy-N'-(3,3,3-trifluoropropyl)propanediamide.
What is the SMILES notation for 2-hydroxy-N'-(3,3,3-trifluoropropyl)propanediamide?
The canonical SMILES for 2-hydroxy-N'-(3,3,3-trifluoropropyl)propanediamide is NC(=O)C(O)C(=O)NCCC(F)(F)F.
What is the InChIKey of 2-hydroxy-N'-(3,3,3-trifluoropropyl)propanediamide?
The InChIKey is IQCARIXWBQNGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O3/c7-6(8,9)1-2-11-5(14)3(12)4(10)13/h3,12H,1-2H2,(H2,10,13)(H,11,14).
What are the key properties of 2-hydroxy-N'-(3,3,3-trifluoropropyl)propanediamide?
2-hydroxy-N'-(3,3,3-trifluoropropyl)propanediamide has a molecular weight of 214.14 g/mol, XLogP of -1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N'-(3,3,3-trifluoropropyl)propanediamide is sourced from PubChem (CID 140886991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).